Viet Thanh Duy Nguyen

The paper introduces MutaStruct, a curated benchmark for evaluating mutation-induced structural changes, showing that overall structural fidelity does not guarantee accurate modeling of mutation effects.

PRIME-ISP predicts interaction sites across diverse biomolecular interactions using a hierarchical structural framework, outperforming sequence-based methods and matching specialized approaches without task-specific features.

This paper introduces a framework for multi-target drug discovery that combines latent evolution and synthesis-aware prioritization to generate and prioritize drug candidates with high translational potential.

This paper introduces a Generative AI-assisted Virtual Screening Pipeline for drug repurposing that enables blind screening of protein targets without prior structural knowledge.

This study introduces ProteinReDiff, a diffusion-based model for redesigning ligand-binding proteins using sequence and ligand SMILES inputs, showing effectiveness in affinity and structural preservation.

This paper introduces LDE, a variational autoencoder-based method for protein sequence design that improves efficiency by prioritizing high-fitness mutants in latent space, outperforming baselines on eight tasks.

This paper introduces a symmetry-preserving multimodal pretraining framework for proteins, achieving competitive results in multiple tasks using a PyTorch implementation.